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At a time when computers did not exist, Torroja's imagination and creativity were not constrained by the limits of the analytical methods available for structural design, and he was able to design and build economically innovative structures of the highest aesthetic quality.
Structures of the highest potency rocaglates (IC50 values < 10 nM for TRAIL sensitization) and rocaglamide.
Virtual screening (VS) is a reliable, inexpensive method for identifying leads by providing the screening of whole libraries of small molecules in order to get practically achievable number of compounds with the structures of the highest probability of binding to a drug target [53].
The optimized structures of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the three monomers were geometrically calculated by density functional theory (DFT) method using B3LYP level and 3-21G* baset set with Gaussian 98 software.
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Silver passed me along to his colleague Barclay Kamb — the tectonophysicist, X-ray crystallographer, and glaciologist, who discovered, among other things, the structures of the high-pressure forms of ice: ice II through ice IX.
The morphologies of micro- and nanoscale complex structures of the high refractive index polymer were analyzed by scanning electron microscopy (SEM) and atomic force microscopy (AFM).
The chemical structures of the high-potency simple actives are shown in Fig. 5, along with 2D chemical-space plots.
The whole gp120 is a highly glycosylated protein which contains between 23 and 25 potential sites for N-glycosylation carrying glycan structures of the high mannose as well as complex type.
With the structure of the highest efficiency among various ones, the proposed design is applied to three real systems of different chemical groups.
In the concrete binding situation many external impacts will influence the folding of the aptamer, so that the structure of the highest binding affinity does not necessarily correspond to the structure yielding minimal free energy.
Degtyareva, O., McMahon, M. I. & Nelmes, R. J. Crystal structure of the high pressure phase of bismuth Bi-III. in European Powder Diffraction EPDIC 7 469 475Trans Tech Publications (2001).
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